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1BOD
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BU of 1bod by Molmil
THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS
Descriptor: CALBINDIN D9K
Authors:Johansson, C, Ullner, M, Drakenberg, T.
Deposit date:1993-04-23
Release date:1993-10-31
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds.
Biochemistry, 32, 1993
1BOC
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BU of 1boc by Molmil
THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS
Descriptor: CALBINDIN D9K
Authors:Johansson, C, Ullner, M, Drakenberg, T.
Deposit date:1993-04-23
Release date:1993-10-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds.
Biochemistry, 32, 1993
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
Descriptor: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
Authors:Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
6RBI
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BU of 6rbi by Molmil
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
Authors:Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
6RBJ
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BU of 6rbj by Molmil
Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ...
Authors:Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
7BBU
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BU of 7bbu by Molmil
Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
Descriptor: 1,2-ETHANEDIOL, Bifunctional glutamate/proline--tRNA ligase, CHLORIDE ION, ...
Authors:Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Krojer, T, Oppermann, U.C.T.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
To Be Published
1RKJ
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BU of 1rkj by Molmil
Solution structure of the complex formed by the two N-terminal RNA-binding domains of nucleolin and a pre-rRNA target
Descriptor: 5'-R(*GP*GP*AP*UP*GP*CP*CP*UP*CP*CP*CP*GP*AP*GP*UP*GP*CP*AP*UP*CP*C)-3', Nucleolin
Authors:Johansson, C, Finger, L.D, Trantirek, L, Mueller, T.D, Kim, S, Laird-Offringa, I.A, Feigon, J.
Deposit date:2003-11-21
Release date:2004-04-27
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of the complex formed by the two N-terminal RNA-binding domains of nucleolin and a pre-rRNA target.
J.Mol.Biol., 337, 2004
7OCB
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BU of 7ocb by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ...
Authors:Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U.
Deposit date:2021-04-26
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
To Be Published
7QC1
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BU of 7qc1 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT436
Descriptor: 1,2-ETHANEDIOL, Proline--tRNA ligase, [(2~{R},3~{S})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{N}-[4-[[3-(2,3-dihydro-1~{H}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate
Authors:Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Oppermann, U.C.T.
Deposit date:2021-11-22
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT436
To Be Published
7QB7
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BU of 7qb7 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT345 and L-Proline
Descriptor: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
Authors:Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Oppermann, U.C.T.
Deposit date:2021-11-18
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT345
To Be Published
7QC2
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BU of 7qc2 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline
Descriptor: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
Authors:Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Oppermann, U.C.T.
Deposit date:2021-11-22
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline
To Be Published
2FLS
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BU of 2fls by Molmil
Crystal structure of Human Glutaredoxin 2 complexed with glutathione
Descriptor: GLUTATHIONE, Glutaredoxin-2
Authors:Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-01-06
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Human Glutaredoxin 2 complexed with glutathione
To be Published
2GS3
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BU of 2gs3 by Molmil
Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
Descriptor: CHLORIDE ION, Phospholipid hydroperoxide glutathione peroxidase
Authors:Johansson, C, Kavanagh, K.L, Rojkova, A, Gileadi, O, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
To be Published
2HT9
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BU of 2ht9 by Molmil
The structure of dimeric human glutaredoxin 2
Descriptor: 12-mer peptide, FE2/S2 (INORGANIC) CLUSTER, GLUTATHIONE, ...
Authors:Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-07-25
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reversible sequestration of active site cysteines in a 2Fe-2S-bridged dimer provides a mechanism for glutaredoxin 2 regulation in human mitochondria
J.Biol.Chem., 282, 2007
4UF0
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BU of 4uf0 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid.
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2014-12-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3P
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BU of 5a3p by Molmil
Crystal structure of the catalytic domain of human PLU1 (JARID1B).
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A1F
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BU of 5a1f by Molmil
Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-04-29
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3W
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BU of 5a3w by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6QPL
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BU of 6qpl by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor MS31
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-02-14
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).
J.Med.Chem., 62, 2019
5FUP
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BU of 5fup by Molmil
Crystal structure of human JARID1B in complex with 2-oxoglutarate.
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2016-01-28
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FV3
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BU of 5fv3 by Molmil
Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FUN
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BU of 5fun by Molmil
Crystal structure of human JARID1B in complex with GSK467
Descriptor: 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
Deposit date:2016-01-28
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016

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